[5-bromanyl-2-(pyridin-3-ylmethoxy)phenyl]methyl-prop-2-enyl-azanium

Systemtic Name: [5-bromanyl-2-(pyridin-3-ylmethoxy)phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[5-bromo-2-(3-pyridylmethoxy)phenyl]methyl]ammonium CAS Name: [5-bromo-2-(3-pyridinylmethoxy)phenyl]methyl-prop-2-enylammonium IUPAC Name: [5-bromo-2-(pyridin-3-ylmethoxy)phenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[5-bromo-2-(3-pyridylmethoxy)benzyl]ammonium Formula: C16H18BrN2O+ MolecularWeight: 334.23092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CN=CC=C2

Isomeric SMILES

C=CC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CN=CC=C2

InChI

InChI=1S/C16H17BrN2O/c1-2-7-18-11-14-9-15(17)5-6-16(14)20-12-13-4-3-8-19-10-13/h2-6,8-10,18H,1,7,11-12H2/p+1